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more output cleanup in MISC, MLIAP, MOLECULE, and POEMS

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This commit is contained in:
Axel Kohlmeyer
2020-06-29 11:47:11 -04:00
parent 5e183ecb33
commit 96d943513e
8 changed files with 61 additions and 88 deletions
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23
src/MISC/fix_orient_bcc.cpp
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@ -23,6 +23,7 @@
#include <cstring>
#include <cstdlib>
#include <mpi.h>
#include <string>
#include "atom.h"
#include "update.h"
#include "respa.h"
@ -35,6 +36,8 @@
#include "citeme.h"
#include "memory.h"
#include "error.h"
#include "utils.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;
using namespace FixConst;
@ -450,20 +453,12 @@ void FixOrientBCC::post_force(int /*vflag*/)
MPI_Allreduce(&maxcount,&max,1,MPI_INT,MPI_MAX,world);
if (me == 0) {
if (screen) fprintf(screen,
"orient step " BIGINT_FORMAT ": " BIGINT_FORMAT
" atoms have %d neighbors\n",
update->ntimestep,atom->natoms,total);
if (logfile) fprintf(logfile,
"orient step " BIGINT_FORMAT ": " BIGINT_FORMAT
" atoms have %d neighbors\n",
update->ntimestep,atom->natoms,total);
if (screen)
fprintf(screen," neighs: min = %d, max = %d, ave = %g\n",
min,max,ave);
if (logfile)
fprintf(logfile," neighs: min = %d, max = %d, ave = %g\n",
min,max,ave);
std::string mesg = fmt::format("orient step {}: {} atoms have {} "
"neighbors\n", update->ntimestep,
atom->natoms,total);
mesg += fmt::format(" neighs: min = {}, max ={}, ave = {}\n",
min,max,ave);
utils::logmesg(lmp,mesg);
}
}
}